(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone

C18H17N5O2 — CID 90558787

IUPAC(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-17(16-12-21-14-4-1-2-5-15(14)22-16)23-10-6-13(7-11-23)25-18-19-8-3-9-20-18/h1-5,8-9,12-13H,6-7,10-11H2
InChIKeyVGDOHMNZDBYAIS-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.10
Rot. Bonds3

About (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone

(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone (PubChem CID 90558787) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
PubChem CID90558787
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-17(16-12-21-14-4-1-2-5-15(14)22-16)23-10-6-13(7-11-23)25-18-19-8-3-9-20-18/h1-5,8-9,12-13H,6-7,10-11H2
InChIKeyVGDOHMNZDBYAIS-UHFFFAOYSA-N
XLogP2.10
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799107
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 95758800
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone?
The IUPAC name of (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone (CID 90558787) is (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone?
The InChIKey is VGDOHMNZDBYAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(16-12-21-14-4-1-2-5-15(14)22-16)23-10-6-13(7-11-23)25-18-19-8-3-9-20-18/h1-5,8-9,12-13H,6-7,10-11H2.
What are the key properties of (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone?
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone has a molecular weight of 335.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 90558787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).